(phenylmethyl) 6-(aminocarbonylamino)-6-azanyl-4-nitro-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: (phenylmethyl) 6-(aminocarbonylamino)-6-azanyl-4-nitro-cyclohexa-2,4-diene-1-carboxylate Openeye Name: benzyl 6-amino-4-nitro-6-ureido-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-amino-6-(carbamoylamino)-4-nitro-1-cyclohexa-2,4-dienecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-6-(carbamoylamino)-4-nitrocyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-amino-4-nitro-6-ureido-cyclohexa-2,4-diene-1-carboxylic acid benzyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2C=CC(=CC2(N)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2C=CC(=CC2(N)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c16-14(21)18-15(17)8-11(19(22)23)6-7-12(15)13(20)24-9-10-4-2-1-3-5-10/h1-8,12H,9,17H2,(H3,16,18,21)