N-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methyl]-3-nitro-aniline

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methyl]-3-nitro-aniline Openeye Name: N-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyl]-3-nitro-aniline CAS Name: N-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl]-3-nitroaniline IUPAC Name: N-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl]-3-nitroaniline Traditional Name: (3-bromo-5-methoxy-4-propargyloxy-benzyl)-(3-nitrophenyl)amine Formula: C17H15BrN2O4 MolecularWeight: 391.216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC(=CC=C2)[N+](=O)[O-])Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC(=CC=C2)[N+](=O)[O-])Br)OCC#C

InChI

InChI=1S/C17H15BrN2O4/c1-3-7-24-17-15(18)8-12(9-16(17)23-2)11-19-13-5-4-6-14(10-13)20(21)22/h1,4-6,8-10,19H,7,11H2,2H3