[2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[(4-ethoxy-4-keto-butyl)amino]-2-keto-ethyl] ester Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O7/c1-3-25-15(21)5-4-8-18-14(20)10-26-16(22)11-6-7-12(17-2)13(9-11)19(23)24/h6-7,9,17H,3-5,8,10H2,1-2H3,(H,18,20)