2-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]-3-(1H-imidazol-3-ium-5-yl)propanoate

Systemtic Name: 2-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]amino]-3-(1H-imidazol-3-ium-5-yl)propanoate Openeye Name: 2-[(3-chloro-1,4-dioxo-2-naphthyl)amino]-3-(1H-imidazol-3-ium-5-yl)propanoate CAS Name: 2-[(3-chloro-1,4-dioxo-2-naphthalenyl)amino]-3-(1H-imidazol-3-ium-5-yl)propanoate IUPAC Name: 2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-3-(1H-imidazol-3-ium-5-yl)propanoate Traditional Name: 2-[(3-chloro-1,4-diketo-2-naphthyl)amino]-3-(1H-imidazol-3-ium-5-yl)propionate Formula: C16H12ClN3O4 MolecularWeight: 345.73718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(CC3=C[NH+]=CN3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(CC3=C[NH+]=CN3)C(=O)[O-]

InChI

InChI=1S/C16H12ClN3O4/c17-12-13(15(22)10-4-2-1-3-9(10)14(12)21)20-11(16(23)24)5-8-6-18-7-19-8/h1-4,6-7,11,20H,5H2,(H,18,19)(H,23,24)