cyclobutane; 5-nitro-2-[(E)-2-phenylethenyl]-N-propyl-aniline

Systemtic Name: cyclobutane; 5-nitro-2-[(E)-2-phenylethenyl]-N-propyl-aniline Openeye Name: cyclobutane; 5-nitro-N-propyl-2-[(E)-styryl]aniline CAS Name: cyclobutane; 5-nitro-2-[(E)-2-phenylethenyl]-N-propylaniline IUPAC Name: cyclobutane; 5-nitro-2-[(E)-2-phenylethenyl]-N-propylaniline Traditional Name: cyclobutane; [5-nitro-2-[(E)-styryl]phenyl]-propyl-amine Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1)[N+](=O)[O-])C=CC2=CC=CC=C2.C1CCC1

Isomeric SMILES

CCCNC1=C(C=CC(=C1)[N+](=O)[O-])/C=C/C2=CC=CC=C2.C1CCC1

InChI

InChI=1S/C17H18N2O2.C4H8/c1-2-12-18-17-13-16(19(20)21)11-10-15(17)9-8-14-6-4-3-5-7-14;1-2-4-3-1/h3-11,13,18H,2,12H2,1H3;1-4H2/b9-8+;