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

Systemtic Name: 2-[(4-carboxyphenyl)methylamino]-5-chloranyl-3-nitro-benzoic acid Openeye Name: 2-[(4-carboxyphenyl)methylamino]-5-chloro-3-nitro-benzoic acid CAS Name: 2-[(4-carboxyphenyl)methylamino]-5-chloro-3-nitrobenzoic acid IUPAC Name: 2-[(4-carboxyphenyl)methylamino]-5-chloro-3-nitrobenzoic acid Traditional Name: 2-[(4-carboxybenzyl)amino]-5-chloro-3-nitro-benzoic acid Formula: C15H11ClN2O6 MolecularWeight: 350.71064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2C(=O)O)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2C(=O)O)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H11ClN2O6/c16-10-5-11(15(21)22)13(12(6-10)18(23)24)17-7-8-1-3-9(4-2-8)14(19)20/h1-6,17H,7H2,(H,19,20)(H,21,22)