[1-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]naphthalen-2-yl] 2-carbamimidoyl-4-(diazanylmethylideneamino)benzoate

Systemtic Name: [1-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]naphthalen-2-yl] 2-carbamimidoyl-4-(diazanylmethylideneamino)benzoate Openeye Name: [1-[(E)-3-amino-3-oxo-prop-1-enyl]-2-naphthyl] 2-carbamimidoyl-4-(hydrazinomethyleneamino)benzoate CAS Name: 2-carbamimidoyl-4-(hydrazinylmethylideneamino)benzoic acid [1-[(E)-3-amino-3-oxoprop-1-enyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-3-amino-3-oxoprop-1-enyl]naphthalen-2-yl] 2-carbamimidoyl-4-(hydrazinylmethylideneamino)benzoate Traditional Name: 2-amidino-4-(hydrazinomethyleneamino)benzoic acid [1-[(E)-3-amino-3-keto-prop-1-enyl]-2-naphthyl] ester Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C=CC(=O)N)OC(=O)C3=C(C=C(C=C3)N=CNN)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2/C=C/C(=O)N)OC(=O)C3=C(C=C(C=C3)N=CNN)C(=N)N

InChI

InChI=1S/C22H20N6O3/c23-20(29)10-8-16-15-4-2-1-3-13(15)5-9-19(16)31-22(30)17-7-6-14(27-12-28-26)11-18(17)21(24)25/h1-12H,26H2,(H2,23,29)(H3,24,25)(H,27,28)/b10-8+