[2-[butyl(methyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[butyl(methyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[butyl(methyl)amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[butyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butyl(methyl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[butyl(methyl)amino]-2-keto-ethyl] ester Formula: C14H19N3O5 MolecularWeight: 309.31776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c1-3-4-7-16(2)13(18)9-22-14(19)10-5-6-11(15)12(8-10)17(20)21/h5-6,8H,3-4,7,9,15H2,1-2H3