4-[(3-methoxy-4-propoxy-phenyl)methylamino]-3-nitro-benzamide

Systemtic Name: 4-[(3-methoxy-4-propoxy-phenyl)methylamino]-3-nitro-benzamide Openeye Name: 4-[(3-methoxy-4-propoxy-phenyl)methylamino]-3-nitro-benzamide CAS Name: 4-[(3-methoxy-4-propoxyphenyl)methylamino]-3-nitrobenzamide IUPAC Name: 4-[(3-methoxy-4-propoxyphenyl)methylamino]-3-nitrobenzamide Traditional Name: 4-[(3-methoxy-4-propoxy-benzyl)amino]-3-nitro-benzamide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O5/c1-3-8-26-16-7-4-12(9-17(16)25-2)11-20-14-6-5-13(18(19)22)10-15(14)21(23)24/h4-7,9-10,20H,3,8,11H2,1-2H3,(H2,19,22)