N-(isoquinolin-1-ylmethyl)-4-methoxy-3-nitro-benzamide

Systemtic Name: N-(isoquinolin-1-ylmethyl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(1-isoquinolylmethyl)-4-methoxy-3-nitro-benzamide CAS Name: N-(1-isoquinolinylmethyl)-4-methoxy-3-nitrobenzamide IUPAC Name: N-(isoquinolin-1-ylmethyl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(1-isoquinolylmethyl)-4-methoxy-3-nitro-benzamide Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=NC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=NC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O4/c1-25-17-7-6-13(10-16(17)21(23)24)18(22)20-11-15-14-5-3-2-4-12(14)8-9-19-15/h2-10H,11H2,1H3,(H,20,22)