(phenylmethyl) (2S)-2-[[2-[(E)-3-methoxy-2-nitro-3-oxidanylidene-prop-1-enyl]phenyl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[2-[(E)-3-methoxy-2-nitro-3-oxidanylidene-prop-1-enyl]phenyl]-methyl-amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[2-[(E)-3-methoxy-2-nitro-3-oxo-prop-1-enyl]-N-methyl-anilino]-3-methyl-butanoate CAS Name: (2S)-2-[2-[(E)-3-methoxy-2-nitro-3-oxoprop-1-enyl]-N-methylanilino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[2-[(E)-3-methoxy-2-nitro-3-oxoprop-1-enyl]-N-methylanilino]-3-methylbutanoate Traditional Name: (2S)-2-[2-[(E)-3-keto-3-methoxy-2-nitro-prop-1-enyl]-N-methyl-anilino]-3-methyl-butyric acid benzyl ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)N(C)C2=CC=CC=C2C=C(C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)N(C)C2=CC=CC=C2/C=C(\C(=O)OC)/[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O6/c1-16(2)21(23(27)31-15-17-10-6-5-7-11-17)24(3)19-13-9-8-12-18(19)14-20(25(28)29)22(26)30-4/h5-14,16,21H,15H2,1-4H3/b20-14+/t21-/m0/s1