N-[3-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(4-chloro-2,5-dimethoxy-anilino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(4-chloro-2,5-dimethoxy-anilino)-3-keto-propyl]-4-nitro-benzamide Formula: C18H18ClN3O6 MolecularWeight: 407.80502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C18H18ClN3O6/c1-27-15-10-14(16(28-2)9-13(15)19)21-17(23)7-8-20-18(24)11-3-5-12(6-4-11)22(25)26/h3-6,9-10H,7-8H2,1-2H3,(H,20,24)(H,21,23)