4-chloranyl-N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-3-nitro-benzamide CAS Name: 4-chloro-N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(E)-1-(3,4-dimethoxyphenyl)propylideneamino]-3-nitro-benzamide Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC/C(=N\NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-])/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H18ClN3O5/c1-4-14(11-6-8-16(26-2)17(10-11)27-3)20-21-18(23)12-5-7-13(19)15(9-12)22(24)25/h5-10H,4H2,1-3H3,(H,21,23)/b20-14+