methyl 3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]benzoate

Systemtic Name: methyl 3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]benzoate Openeye Name: methyl 3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate CAS Name: 3-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate Traditional Name: 3-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]benzoic acid methyl ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H17N3O7/c1-28-18(24)12-4-2-5-13(10-12)20-17(23)6-3-9-21-15-8-7-14(22(26)27)11-16(15)29-19(21)25/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,23)