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

Systemtic Name: methyl (2S)-2-[(4-aminocarbonyl-2-nitro-phenyl)amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-(4-carbamoyl-2-nitro-anilino)-4-methyl-pentanoate CAS Name: (2S)-2-(4-carbamoyl-2-nitroanilino)-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-(4-carbamoyl-2-nitroanilino)-4-methylpentanoate Traditional Name: (2S)-2-(4-carbamoyl-2-nitro-anilino)-4-methyl-valeric acid methyl ester Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5/c1-8(2)6-11(14(19)22-3)16-10-5-4-9(13(15)18)7-12(10)17(20)21/h4-5,7-8,11,16H,6H2,1-3H3,(H2,15,18)/t11-/m0/s1