[2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H16N4O6 MolecularWeight: 324.28934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O6/c1-3-15-13(20)16-11(18)7-23-12(19)8-4-5-9(14-2)10(6-8)17(21)22/h4-6,14H,3,7H2,1-2H3,(H2,15,16,18,20)