methyl (2S,3S)-2-[3-[(2,4-dinitrophenyl)amino]propanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[3-[(2,4-dinitrophenyl)amino]propanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[3-(2,4-dinitroanilino)-1-oxopropyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[3-(2,4-dinitroanilino)propanoylamino]-3-methyl-valeric acid methyl ester Formula: C16H22N4O7 MolecularWeight: 382.36848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O7/c1-4-10(2)15(16(22)27-3)18-14(21)7-8-17-12-6-5-11(19(23)24)9-13(12)20(25)26/h5-6,9-10,15,17H,4,7-8H2,1-3H3,(H,18,21)/t10-,15-/m0/s1