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

Systemtic Name: 6-chloranyl-3-nitro-2-[(4-prop-2-enoxyphenyl)amino]benzoic acid Openeye Name: 2-(4-allyloxyanilino)-6-chloro-3-nitro-benzoic acid CAS Name: 6-chloro-3-nitro-2-(4-prop-2-enoxyanilino)benzoic acid IUPAC Name: 6-chloro-3-nitro-2-(4-prop-2-enoxyanilino)benzoic acid Traditional Name: 2-(4-allyloxyanilino)-6-chloro-3-nitro-benzoic acid Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O5/c1-2-9-24-11-5-3-10(4-6-11)18-15-13(19(22)23)8-7-12(17)14(15)16(20)21/h2-8,18H,1,9H2,(H,20,21)