[(2,6-dimethylphenyl)-ethanoyl-amino] 3-nitrobenzoate

Systemtic Name: [(2,6-dimethylphenyl)-ethanoyl-amino] 3-nitrobenzoate Openeye Name: (N-acetyl-2,6-dimethyl-anilino) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (N-acetyl-2,6-dimethylanilino) ester IUPAC Name: (N-acetyl-2,6-dimethylanilino) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (N-acetyl-2,6-dimethyl-anilino) ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C(=O)C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C(=O)C)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-11-6-4-7-12(2)16(11)18(13(3)20)24-17(21)14-8-5-9-15(10-14)19(22)23/h4-10H,1-3H3