[1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-[(2-methylhydrazinyl)methylideneamino]benzoate

Systemtic Name: [1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-[(2-methylhydrazinyl)methylideneamino]benzoate Openeye Name: [1-(2-amino-2-oxo-ethyl)-6-carbamimidoyl-2-naphthyl] 4-[(2-methylhydrazino)methyleneamino]benzoate CAS Name: 4-[(methylhydrazo)methylideneamino]benzoic acid [1-(2-amino-2-oxoethyl)-6-carbamimidoyl-2-naphthalenyl] ester IUPAC Name: [1-(2-amino-2-oxoethyl)-6-carbamimidoylnaphthalen-2-yl] 4-[(2-methylhydrazinyl)methylideneamino]benzoate Traditional Name: 4-[(N'-methylhydrazino)methyleneamino]benzoic acid [6-amidino-1-(2-amino-2-keto-ethyl)-2-naphthyl] ester Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CNNC=NC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N

Isomeric SMILES

CNNC=NC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N

InChI

InChI=1S/C22H22N6O3/c1-26-28-12-27-16-6-2-13(3-7-16)22(30)31-19-9-5-14-10-15(21(24)25)4-8-17(14)18(19)11-20(23)29/h2-10,12,26H,11H2,1H3,(H2,23,29)(H3,24,25)(H,27,28)