methyl 3-[(4-acetamido-3-chloranyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-acetamido-3-chloranyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-acetamido-3-chloro-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[(4-acetamido-3-chloroanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-acetamido-3-chlorophenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-acetamido-3-chloro-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H14ClN3O6 MolecularWeight: 391.76256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)Cl

InChI

InChI=1S/C17H14ClN3O6/c1-9(22)19-15-4-3-12(8-14(15)18)20-16(23)10-5-11(17(24)27-2)7-13(6-10)21(25)26/h3-8H,1-2H3,(H,19,22)(H,20,23)