2-diethylaminoethyl 4-azanyl-2-nitro-benzoate

Systemtic Name: 2-diethylaminoethyl 4-azanyl-2-nitro-benzoate Openeye Name: 2-diethylaminoethyl 4-amino-2-nitro-benzoate CAS Name: 4-amino-2-nitrobenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-amino-2-nitrobenzoate Traditional Name: 4-amino-2-nitro-benzoic acid 2-diethylaminoethyl ester Formula: C13H19N3O4 MolecularWeight: 281.30766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-3-15(4-2)7-8-20-13(17)11-6-5-10(14)9-12(11)16(18)19/h5-6,9H,3-4,7-8,14H2,1-2H3