[1-(3-azanyl-3-oxidanylidene-propyl)-6-carbamimidoyl-naphthalen-2-yl] 4-(diazanylmethylideneamino)benzoate

Systemtic Name: [1-(3-azanyl-3-oxidanylidene-propyl)-6-carbamimidoyl-naphthalen-2-yl] 4-(diazanylmethylideneamino)benzoate Openeye Name: [1-(3-amino-3-oxo-propyl)-6-carbamimidoyl-2-naphthyl] 4-(hydrazinomethyleneamino)benzoate CAS Name: 4-(hydrazinylmethylideneamino)benzoic acid [1-(3-amino-3-oxopropyl)-6-carbamimidoyl-2-naphthalenyl] ester IUPAC Name: [1-(3-amino-3-oxopropyl)-6-carbamimidoylnaphthalen-2-yl] 4-(hydrazinylmethylideneamino)benzoate Traditional Name: 4-(hydrazinomethyleneamino)benzoic acid [6-amidino-1-(3-amino-3-keto-propyl)-2-naphthyl] ester Formula: C22H22N6O3 MolecularWeight: 418.44848

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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)N)N=CNN

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O3/c23-20(29)10-8-18-17-7-3-15(21(24)25)11-14(17)4-9-19(18)31-22(30)13-1-5-16(6-2-13)27-12-28-26/h1-7,9,11-12H,8,10,26H2,(H2,23,29)(H3,24,25)(H,27,28)