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

Systemtic Name: methyl 4-[(4-azanyl-3-chloranyl-phenyl)amino]-3-nitro-benzoate Openeye Name: methyl 4-(4-amino-3-chloro-anilino)-3-nitro-benzoate CAS Name: 4-(4-amino-3-chloroanilino)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-amino-3-chloroanilino)-3-nitrobenzoate Traditional Name: 4-(4-amino-3-chloro-anilino)-3-nitro-benzoic acid methyl ester Formula: C14H12ClN3O4 MolecularWeight: 321.71578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O4/c1-22-14(19)8-2-5-12(13(6-8)18(20)21)17-9-3-4-11(16)10(15)7-9/h2-7,17H,16H2,1H3