4-[(2-chloranyl-4-methyl-phenyl)amino]-3-nitro-benzoate

Systemtic Name: 4-[(2-chloranyl-4-methyl-phenyl)amino]-3-nitro-benzoate Openeye Name: 4-(2-chloro-4-methyl-anilino)-3-nitro-benzoate CAS Name: 4-(2-chloro-4-methylanilino)-3-nitrobenzoate IUPAC Name: 4-(2-chloro-4-methylanilino)-3-nitrobenzoate Traditional Name: 4-(2-chloro-4-methyl-anilino)-3-nitro-benzoate Formula: C14H10ClN2O4- MolecularWeight: 305.6932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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