2-[(2,6-dimethylphenyl)carbamoylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[(2,6-dimethylphenyl)carbamoylamino]-5-nitro-benzoic acid Openeye Name: 2-[(2,6-dimethylphenyl)carbamoylamino]-5-nitro-benzoic acid CAS Name: 2-[[(2,6-dimethylanilino)-oxomethyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-[(2,6-dimethylphenyl)carbamoylamino]-5-nitrobenzoic acid Traditional Name: 2-[(2,6-dimethylphenyl)carbamoylamino]-5-nitro-benzoic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H15N3O5/c1-9-4-3-5-10(2)14(9)18-16(22)17-13-7-6-11(19(23)24)8-12(13)15(20)21/h3-8H,1-2H3,(H,20,21)(H2,17,18,22)