6-chloranyl-2-[(4-ethoxyphenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 6-chloranyl-2-[(4-ethoxyphenyl)amino]-3-nitro-benzoic acid Openeye Name: 6-chloro-2-(4-ethoxyanilino)-3-nitro-benzoic acid CAS Name: 6-chloro-2-(4-ethoxyanilino)-3-nitrobenzoic acid IUPAC Name: 6-chloro-2-(4-ethoxyanilino)-3-nitrobenzoic acid Traditional Name: 6-chloro-3-nitro-2-(p-phenetidino)benzoic acid Formula: C15H13ClN2O5 MolecularWeight: 336.72712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H13ClN2O5/c1-2-23-10-5-3-9(4-6-10)17-14-12(18(21)22)8-7-11(16)13(14)15(19)20/h3-8,17H,2H2,1H3,(H,19,20)