(E)-4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylamino]-4-keto-but-2-enoic acid Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CNC(=O)C=CC(=O)O)C=C1C(=N)N

Isomeric SMILES

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)CNC(=O)/C=C/C(=O)O)C=C1C(=N)N

InChI

InChI=1S/C21H17N3O6/c22-20(23)14-2-1-13-10-15(4-3-12(13)9-14)30-21(28)17-6-5-16(29-17)11-24-18(25)7-8-19(26)27/h1-10H,11H2,(H3,22,23)(H,24,25)(H,26,27)/b8-7+