(2R)-2-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-ylidene]amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2R)-2-[[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-ylidene]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2R)-2-[(3-chloro-1,4-dioxo-tetralin-2-ylidene)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2R)-2-[(3-chloro-1,4-dioxo-2-naphthalenylidene)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2R)-2-[(3-chloro-1,4-dioxonaphthalen-2-ylidene)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2R)-2-[(3-chloro-1,4-diketo-tetralin-2-ylidene)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C16H12ClN3O4 MolecularWeight: 345.73718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C(=NC(CC3=CN=CN3)C(=O)O)C2=O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C(=N[C@H](CC3=CN=CN3)C(=O)O)C2=O)Cl

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/h1-4,6-7,11-12H,5H2,(H,18,19)(H,23,24)/t11-,12?/m1/s1