2-[1-(4-carboxyphenyl)ethylamino]-5-chloranyl-3-nitro-benzoic acid

Systemtic Name: 2-[1-(4-carboxyphenyl)ethylamino]-5-chloranyl-3-nitro-benzoic acid Openeye Name: 2-[1-(4-carboxyphenyl)ethylamino]-5-chloro-3-nitro-benzoic acid CAS Name: 2-[1-(4-carboxyphenyl)ethylamino]-5-chloro-3-nitrobenzoic acid IUPAC Name: 2-[1-(4-carboxyphenyl)ethylamino]-5-chloro-3-nitrobenzoic acid Traditional Name: 2-[1-(4-carboxyphenyl)ethylamino]-5-chloro-3-nitro-benzoic acid Formula: C16H13ClN2O6 MolecularWeight: 364.73722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O6/c1-8(9-2-4-10(5-3-9)15(20)21)18-14-12(16(22)23)6-11(17)7-13(14)19(24)25/h2-8,18H,1H3,(H,20,21)(H,22,23)