2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-3-keto-1,2,4,5-tetrahydro-1,4-benzodiazepin-2-yl]acetate Formula: C19H18N5O4- MolecularWeight: 380.37732

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)NC(C(=O)N1)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)NC(C(=O)N1)CC(=O)[O-]

InChI

InChI=1S/C19H19N5O4/c20-17(21)10-1-3-11(4-2-10)18(27)23-13-5-6-14-12(7-13)9-22-19(28)15(24-14)8-16(25)26/h1-7,15,24H,8-9H2,(H3,20,21)(H,22,28)(H,23,27)(H,25,26)/p-1