3-[6-carbamimidoyl-2-[4-(diazanylmethylideneamino)phenyl]carbonyloxy-naphthalen-1-yl]propanoic acid

Systemtic Name: 3-[6-carbamimidoyl-2-[4-(diazanylmethylideneamino)phenyl]carbonyloxy-naphthalen-1-yl]propanoic acid Openeye Name: 3-[6-carbamimidoyl-2-[4-(hydrazinomethyleneamino)benzoyl]oxy-1-naphthyl]propanoic acid CAS Name: 3-[6-carbamimidoyl-2-[[4-(hydrazinylmethylideneamino)phenyl]-oxomethoxy]-1-naphthalenyl]propanoic acid IUPAC Name: 3-[6-carbamimidoyl-2-[4-(hydrazinylmethylideneamino)benzoyl]oxynaphthalen-1-yl]propanoic acid Traditional Name: 3-[6-amidino-2-[4-(hydrazinomethyleneamino)benzoyl]oxy-1-naphthyl]propionic acid Formula: C22H21N5O4 MolecularWeight: 419.43324

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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)CCC(=O)O)N=CNN

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c23-21(24)15-3-7-17-14(11-15)4-9-19(18(17)8-10-20(28)29)31-22(30)13-1-5-16(6-2-13)26-12-27-25/h1-7,9,11-12H,8,10,25H2,(H3,23,24)(H,26,27)(H,28,29)