(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H17ClN2O7 MolecularWeight: 444.82188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN2O7/c1-12-8-18-16(10-17(12)22)14(9-20(26)31-18)11-30-19(25)6-7-23-21(27)13-2-4-15(5-3-13)24(28)29/h2-5,8-10H,6-7,11H2,1H3,(H,23,27)