2-[2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy-6-carbamimidoyl-naphthalen-1-yl]ethanoic acid

Systemtic Name: 2-[2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy-6-carbamimidoyl-naphthalen-1-yl]ethanoic acid Openeye Name: 2-[6-carbamimidoyl-2-(4-guanidinobenzoyl)oxy-1-naphthyl]acetic acid CAS Name: 2-[6-carbamimidoyl-2-[[4-(diaminomethylideneamino)phenyl]-oxomethoxy]-1-naphthalenyl]acetic acid IUPAC Name: 2-[6-carbamimidoyl-2-[4-(diaminomethylideneamino)benzoyl]oxynaphthalen-1-yl]acetic acid Traditional Name: 2-[6-amidino-2-(4-guanidinobenzoyl)oxy-1-naphthyl]acetic acid Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)O)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)O)N=C(N)N

InChI

InChI=1S/C21H19N5O4/c22-19(23)13-3-7-15-12(9-13)4-8-17(16(15)10-18(27)28)30-20(29)11-1-5-14(6-2-11)26-21(24)25/h1-9H,10H2,(H3,22,23)(H,27,28)(H4,24,25,26)