[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (2-oxo-2-ureido-ethyl) 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: 2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid (2-keto-2-ureido-ethyl) ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC(=O)N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC(=O)N)C

InChI

InChI=1S/C16H20N4O4/c1-4-5-20-10(2)6-12(11(20)3)7-13(8-17)15(22)24-9-14(21)19-16(18)23/h6-7H,4-5,9H2,1-3H3,(H3,18,19,21,23)