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

Systemtic Name: [2-[butyl(ethyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[butyl(ethyl)amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[butyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butyl(ethyl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[butyl(ethyl)amino]-2-keto-ethyl] ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-3-5-8-17(4-2)14(19)10-23-15(20)11-6-7-12(16)13(9-11)18(21)22/h6-7,9H,3-5,8,10,16H2,1-2H3