(E)-2-(4-tert-butylphenyl)carbonyl-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(4-tert-butylphenyl)carbonyl-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(4-tert-butylbenzoyl)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-2-[(4-tert-butylphenyl)-oxomethyl]-3-[4-(methylamino)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-tert-butylbenzoyl)-3-[4-(methylamino)-3-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-(4-tert-butylbenzoyl)-3-[4-(methylamino)-3-nitro-phenyl]acrylonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C=C2)NC)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=C(C=C2)NC)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H21N3O3/c1-21(2,3)17-8-6-15(7-9-17)20(25)16(13-22)11-14-5-10-18(23-4)19(12-14)24(26)27/h5-12,23H,1-4H3/b16-11+