[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[[(1R)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[[(1R)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-10(2)4-5-11(3)18-15(20)9-24-16(21)12-6-7-13(17)14(8-12)19(22)23/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,20)/t11-/m1/s1