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

Systemtic Name: 2-[[7-[(4-carbamimidoylphenyl)carbonylamino]-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-[(4-carbamimidoylbenzoyl)amino]-2,4-dimethyl-3-oxo-1,4-benzoxazine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2,4-dimethyl-3-oxo-1,4-benzoxazin-2-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-[(4-carbamimidoylbenzoyl)amino]-2,4-dimethyl-3-oxo-1,4-benzoxazine-2-carbonyl]amino]acetic acid Traditional Name: 2-[[7-[(4-amidinobenzoyl)amino]-3-keto-2,4-dimethyl-1,4-benzoxazine-2-carbonyl]amino]acetic acid Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)C)C(=O)NCC(=O)O

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)C)C(=O)NCC(=O)O

InChI

InChI=1S/C21H21N5O6/c1-21(19(30)24-10-16(27)28)20(31)26(2)14-8-7-13(9-15(14)32-21)25-18(29)12-5-3-11(4-6-12)17(22)23/h3-9H,10H2,1-2H3,(H3,22,23)(H,24,30)(H,25,29)(H,27,28)