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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(ethylcarbamoylamino)-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c1-3-14-13(19)15-11(17)7-22-12(18)9-5-4-6-10(8(9)2)16(20)21/h4-6H,3,7H2,1-2H3,(H2,14,15,17,19)