(2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-2-(3-hydroxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxy-2-nitroanilino)-2-(3-hydroxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-ethoxy-2-nitroanilino)-2-(3-hydroxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-2-(3-hydroxypropylammonio)-4-keto-butyrate Formula: C15H21N3O7 MolecularWeight: 355.34314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCO)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCO)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O7/c1-2-25-10-4-5-11(13(8-10)18(23)24)17-14(20)9-12(15(21)22)16-6-3-7-19/h4-5,8,12,16,19H,2-3,6-7,9H2,1H3,(H,17,20)(H,21,22)/t12-/m1/s1