2-[[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[3-methyl-4-(o-tolylazo)phenyl]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[3-methyl-4-(2-methylphenyl)azoanilino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[3-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[3-methyl-4-(o-tolylazo)phenyl]carbamoyl]-6-nitro-benzoic acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=NC2=C(C=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1N=NC2=C(C=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C22H18N4O5/c1-13-6-3-4-8-17(13)24-25-18-11-10-15(12-14(18)2)23-21(27)16-7-5-9-19(26(30)31)20(16)22(28)29/h3-12H,1-2H3,(H,23,27)(H,28,29)