7-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-2-oxidanylidene-4-(sulfomethyl)chromene-3-sulfonic acid; pyridin-1-ium

Systemtic Name: 7-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-2-oxidanylidene-4-(sulfomethyl)chromene-3-sulfonic acid; pyridin-1-ium Openeye Name: 7-[(4,5-dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-2-oxo-4-(sulfomethyl)chromene-3-sulfonic acid; pyridin-1-ium CAS Name: 7-[[(4,5-dimethoxy-2-nitrophenyl)methoxy-oxomethyl]amino]-2-oxo-4-(sulfomethyl)-1-benzopyran-3-sulfonic acid; pyridin-1-ium IUPAC Name: 7-[(4,5-dimethoxy-2-nitrophenyl)methoxycarbonylamino]-2-oxo-4-(sulfomethyl)chromene-3-sulfonic acid; pyridin-1-ium Traditional Name: 7-[(4,5-dimethoxy-2-nitro-benzyl)oxycarbonylamino]-2-keto-4-(sulfomethyl)chromene-3-sulfonic acid; pyridin-1-ium Formula: C25H24N3O14S2+ MolecularWeight: 654.59976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)NC2=CC3=C(C=C2)C(=C(C(=O)O3)S(=O)(=O)O)CS(=O)(=O)O)[N+](=O)[O-])OC.C1=CC=[NH+]C=C1

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)NC2=CC3=C(C=C2)C(=C(C(=O)O3)S(=O)(=O)O)CS(=O)(=O)O)[N+](=O)[O-])OC.C1=CC=[NH+]C=C1

InChI

InChI=1S/C20H18N2O14S2.C5H5N/c1-33-16-5-10(14(22(25)26)7-17(16)34-2)8-35-20(24)21-11-3-4-12-13(9-37(27,28)29)18(38(30,31)32)19(23)36-15(12)6-11;1-2-4-6-5-3-1/h3-7H,8-9H2,1-2H3,(H,21,24)(H,27,28,29)(H,30,31,32);1-5H/p+1