2-[(5-chloranyl-2-methyl-phenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 2-[(5-chloranyl-2-methyl-phenyl)amino]-3-nitro-benzoic acid Openeye Name: 2-(5-chloro-2-methyl-anilino)-3-nitro-benzoic acid CAS Name: 2-(5-chloro-2-methylanilino)-3-nitrobenzoic acid IUPAC Name: 2-(5-chloro-2-methylanilino)-3-nitrobenzoic acid Traditional Name: 2-(5-chloro-2-methyl-anilino)-3-nitro-benzoic acid Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O4/c1-8-5-6-9(15)7-11(8)16-13-10(14(18)19)3-2-4-12(13)17(20)21/h2-7,16H,1H3,(H,18,19)