3-but-2-ynoxy-4-[(E)-2-nitroethenyl]aniline

Systemtic Name: 3-but-2-ynoxy-4-[(E)-2-nitroethenyl]aniline Openeye Name: 3-but-2-ynoxy-4-[(E)-2-nitrovinyl]aniline CAS Name: 3-but-2-ynoxy-4-[(E)-2-nitroethenyl]aniline IUPAC Name: 3-but-2-ynoxy-4-[(E)-2-nitroethenyl]aniline Traditional Name: [3-but-2-ynoxy-4-[(E)-2-nitrovinyl]phenyl]amine Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=C(C=CC(=C1)N)C=C[N+](=O)[O-]

Isomeric SMILES

CC#CCOC1=C(C=CC(=C1)N)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O3/c1-2-3-8-17-12-9-11(13)5-4-10(12)6-7-14(15)16/h4-7,9H,8,13H2,1H3/b7-6+