(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(aminocarbonylamino)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(aminocarbonylamino)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-ureidobenzoate CAS Name: 4-(carbamoylamino)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(carbamoylamino)benzoate Traditional Name: 4-ureidobenzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)N

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)N

InChI

InChI=1S/C14H14N4O4/c1-8(16)11(6-15)12(19)7-22-13(20)9-2-4-10(5-3-9)18-14(17)21/h2-5,11,16H,7H2,1H3,(H3,17,18,21)