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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C17H12N2O7 MolecularWeight: 356.28638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)[N+](=O)[O-])N

InChI

InChI=1S/C17H12N2O7/c18-13-4-1-9(5-14(13)19(23)24)17(22)25-8-10-6-16(21)26-15-7-11(20)2-3-12(10)15/h1-7,20H,8,18H2