(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H14N2O6 MolecularWeight: 354.31356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6/c1-10-2-4-13-12(8-17(21)26-16(13)6-10)9-25-18(22)11-3-5-14(19)15(7-11)20(23)24/h2-8H,9,19H2,1H3