2-[[7-[(4-carbamimidoylphenyl)carbonylamino]-4-ethyl-3-oxidanylidene-1,4-benzoxazin-2-yl]oxy]ethanoic acid

Systemtic Name: 2-[[7-[(4-carbamimidoylphenyl)carbonylamino]-4-ethyl-3-oxidanylidene-1,4-benzoxazin-2-yl]oxy]ethanoic acid Openeye Name: 2-[[7-[(4-carbamimidoylbenzoyl)amino]-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]oxy]acetic acid CAS Name: 2-[[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]oxy]acetic acid IUPAC Name: 2-[[7-[(4-carbamimidoylbenzoyl)amino]-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]oxy]acetic acid Traditional Name: 2-[[7-[(4-amidinobenzoyl)amino]-4-ethyl-3-keto-1,4-benzoxazin-2-yl]oxy]acetic acid Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)OC(C1=O)OCC(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)OC(C1=O)OCC(=O)O

InChI

InChI=1S/C20H20N4O6/c1-2-24-14-8-7-13(9-15(14)30-20(19(24)28)29-10-16(25)26)23-18(27)12-5-3-11(4-6-12)17(21)22/h3-9,20H,2,10H2,1H3,(H3,21,22)(H,23,27)(H,25,26)