(2R)-2-azaniumyl-4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-azaniumyl-4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-azaniumyl-4-(2-chloro-5-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-ammonio-4-(2-chloro-5-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-azaniumyl-4-(2-chloro-5-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-ammonio-4-(2-chloro-5-nitro-anilino)-4-keto-butyrate Formula: C10H10ClN3O5 MolecularWeight: 287.6565

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CC(C(=O)[O-])[NH3+])Cl

Isomeric SMILES

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

InChI

InChI=1S/C10H10ClN3O5/c11-6-2-1-5(14(18)19)3-8(6)13-9(15)4-7(12)10(16)17/h1-3,7H,4,12H2,(H,13,15)(H,16,17)/t7-/m1/s1