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

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(4-ethoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(4-ethoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-(4-ethoxy-2-nitro-anilino)-4-keto-butyrate Formula: C15H23N4O6+ MolecularWeight: 355.36632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O6/c1-2-25-10-4-5-11(13(8-10)19(23)24)18-14(20)9-12(15(21)22)17-7-3-6-16/h4-5,8,12,17H,2-3,6-7,9,16H2,1H3,(H,18,20)(H,21,22)/p+1/t12-/m1/s1