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

Systemtic Name: [2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[[2-(ethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[[2-(ethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-3-15-12(18)7-16-13(19)8-23-14(20)10-5-4-6-11(9(10)2)17(21)22/h4-6H,3,7-8H2,1-2H3,(H,15,18)(H,16,19)