methyl 2-[(2,5-dimethylphenyl)carbamoyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[(2,5-dimethylphenyl)carbamoyl]-3-nitro-benzoate Openeye Name: methyl 2-[(2,5-dimethylphenyl)carbamoyl]-3-nitro-benzoate CAS Name: 2-[(2,5-dimethylanilino)-oxomethyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethylphenyl)carbamoyl]-3-nitrobenzoate Traditional Name: 2-[(2,5-dimethylphenyl)carbamoyl]-3-nitro-benzoic acid methyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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