3-[(5-chloranyl-2-nitro-phenyl)-(phenylmethyl)amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(5-chloranyl-2-nitro-phenyl)-(phenylmethyl)amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-(N-benzyl-5-chloro-2-nitro-anilino)-3-oxo-propanoic acid CAS Name: 3-(5-chloro-2-nitro-N-(phenylmethyl)anilino)-3-oxopropanoic acid IUPAC Name: 3-(N-benzyl-5-chloro-2-nitroanilino)-3-oxopropanoic acid Traditional Name: 3-(N-benzyl-5-chloro-2-nitro-anilino)-3-keto-propionic acid Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)CC(=O)O

InChI

InChI=1S/C16H13ClN2O5/c17-12-6-7-13(19(23)24)14(8-12)18(15(20)9-16(21)22)10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,22)