[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[[(1S)-1,5-dimethylhexyl]amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[[(1S)-1,5-dimethylhexyl]amino]-2-keto-ethyl] ester Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5/c1-11(2)5-4-6-12(3)19-16(21)10-25-17(22)13-7-8-14(18)15(9-13)20(23)24/h7-9,11-12H,4-6,10,18H2,1-3H3,(H,19,21)/t12-/m0/s1