(4-aminocarbonyl-2-nitro-phenyl)methyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: (4-carbamoyl-2-nitrophenyl)methyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: (4-carbamoyl-2-nitro-benzyl)-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C18H20N3O5+ MolecularWeight: 358.3685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])CC2OC(=C1)O

InChI

InChI=1S/C18H19N3O5/c1-10-6-17(22)26-16-8-13(4-5-14(10)16)20-9-12-3-2-11(18(19)23)7-15(12)21(24)25/h2-3,6-7,16,22H,4-5,8-9H2,1H3,(H2,19,23)/p+1