(2R)-4-[(4-chloranyl-3-nitro-phenyl)amino]-2-(ethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-chloranyl-3-nitro-phenyl)amino]-2-(ethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-chloro-3-nitro-anilino)-2-(ethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-chloro-3-nitroanilino)-2-(ethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-chloro-3-nitroanilino)-2-(ethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-chloro-3-nitro-anilino)-2-(ethylammonio)-4-keto-butyrate Formula: C12H14ClN3O5 MolecularWeight: 315.70966

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C(CC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[NH2+][C@H](CC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14ClN3O5/c1-2-14-9(12(18)19)6-11(17)15-7-3-4-8(13)10(5-7)16(20)21/h3-5,9,14H,2,6H2,1H3,(H,15,17)(H,18,19)/t9-/m1/s1