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

Systemtic Name: methyl 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: methyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-2,4-dimethyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2,4-dimethyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-2,4-dimethyl-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-3-keto-2,4-dimethyl-1,4-benzoxazin-2-yl]acetic acid methyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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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)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c1-21(11-17(26)29-3)20(28)25(2)15-9-8-14(10-16(15)30-21)24-19(27)13-6-4-12(5-7-13)18(22)23/h4-10H,11H2,1-3H3,(H3,22,23)(H,24,27)