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

Systemtic Name: methyl 4-chloranyl-3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate CAS Name: 4-chloro-3-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzoate Traditional Name: 4-chloro-3-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]benzoic acid methyl ester Formula: C19H16ClN3O7 MolecularWeight: 433.79924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O7/c1-29-18(25)11-4-6-13(20)14(9-11)21-17(24)3-2-8-22-15-7-5-12(23(27)28)10-16(15)30-19(22)26/h4-7,9-10H,2-3,8H2,1H3,(H,21,24)