ethyl 2-[[(4-aminocarbonyl-2-nitro-phenyl)amino]methyl]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[[(4-aminocarbonyl-2-nitro-phenyl)amino]methyl]-4-methyl-pentanoate Openeye Name: ethyl 2-[(4-carbamoyl-2-nitro-anilino)methyl]-4-methyl-pentanoate CAS Name: 2-[(4-carbamoyl-2-nitroanilino)methyl]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-carbamoyl-2-nitroanilino)methyl]-4-methylpentanoate Traditional Name: 2-[(4-carbamoyl-2-nitro-anilino)methyl]-4-methyl-valeric acid ethyl ester Formula: C16H23N3O5 MolecularWeight: 337.37092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC(C)C)CNC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5/c1-4-24-16(21)12(7-10(2)3)9-18-13-6-5-11(15(17)20)8-14(13)19(22)23/h5-6,8,10,12,18H,4,7,9H2,1-3H3,(H2,17,20)