(2R)-2-[2-(2-hydroxyethyloxy)ethylazaniumyl]-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[2-(2-hydroxyethyloxy)ethylazaniumyl]-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[2-(2-hydroxyethoxy)ethylammonio]-4-(2-methyl-5-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-[2-(2-hydroxyethoxy)ethylammonio]-4-(2-methyl-5-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[2-(2-hydroxyethoxy)ethylazaniumyl]-4-(2-methyl-5-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-[2-(2-hydroxyethoxy)ethylammonio]-4-keto-4-(2-methyl-5-nitro-anilino)butyrate Formula: C15H21N3O7 MolecularWeight: 355.34314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)[O-])[NH2+]CCOCCO

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[C@H](C(=O)[O-])[NH2+]CCOCCO

InChI

InChI=1S/C15H21N3O7/c1-10-2-3-11(18(23)24)8-12(10)17-14(20)9-13(15(21)22)16-4-6-25-7-5-19/h2-3,8,13,16,19H,4-7,9H2,1H3,(H,17,20)(H,21,22)/t13-/m1/s1