3-[3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enenitrile

Systemtic Name: 3-[3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Openeye Name: 3-[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: 3-[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: 3-[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: 3-[3-bromo-5-methoxy-4-(3-nitrobenzyl)oxy-phenyl]acrylonitrile Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC#N)Br)OCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC#N)Br)OCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN2O4/c1-23-16-10-12(5-3-7-19)9-15(18)17(16)24-11-13-4-2-6-14(8-13)20(21)22/h2-6,8-10H,11H2,1H3