3-[[4-chloranyl-1-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoic acid

Systemtic Name: 3-[[4-chloranyl-1-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]benzoic acid Openeye Name: 3-[[4-chloro-1-(1-naphthyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoic acid CAS Name: 3-[[4-chloro-1-(1-naphthalenyl)-2,5-dioxo-3-pyrrolyl]amino]benzoic acid IUPAC Name: 3-[(4-chloro-1-naphthalen-1-yl-2,5-dioxopyrrol-3-yl)amino]benzoic acid Traditional Name: 3-[[4-chloro-2,5-diketo-1-(1-naphthyl)-3-pyrrolin-3-yl]amino]benzoic acid Formula: C21H13ClN2O4 MolecularWeight: 392.79192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=O)C(=C(C3=O)Cl)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=O)C(=C(C3=O)Cl)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H13ClN2O4/c22-17-18(23-14-8-3-7-13(11-14)21(27)28)20(26)24(19(17)25)16-10-4-6-12-5-1-2-9-15(12)16/h1-11,23H,(H,27,28)