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

Systemtic Name: methyl 3-[[4-(methylamino)-2-oxidanylidene-chromen-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(methylamino)-2-oxo-chromen-3-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(methylamino)-2-oxo-1-benzopyran-3-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(methylamino)-2-oxochromen-3-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-keto-4-(methylamino)chromen-3-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H15N3O7/c1-20-15-13-5-3-4-6-14(13)29-19(25)16(15)21-17(23)10-7-11(18(24)28-2)9-12(8-10)22(26)27/h3-9,20H,1-2H3,(H,21,23)