methyl 3-nitro-5-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)carbamoyl]benzoate Openeye Name: methyl 3-[(2-hydroxy-4-oxo-chromen-3-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-hydroxy-4-oxo-1-benzopyran-3-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-hydroxy-4-oxochromen-3-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-hydroxy-4-keto-chromen-3-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H12N2O8 MolecularWeight: 384.29648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(OC3=CC=CC=C3C2=O)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(OC3=CC=CC=C3C2=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O8/c1-27-17(23)10-6-9(7-11(8-10)20(25)26)16(22)19-14-15(21)12-4-2-3-5-13(12)28-18(14)24/h2-8,24H,1H3,(H,19,22)