N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-nitro-aniline

Systemtic Name: N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-nitro-aniline Openeye Name: N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-nitro-aniline CAS Name: N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-4-nitroaniline IUPAC Name: N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-nitroaniline Traditional Name: [(E)-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)methyleneamino]-(4-nitrophenyl)amine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O3/c1-4-28-21-11-9-19(10-12-21)24-15(2)13-17(16(24)3)14-22-23-18-5-7-20(8-6-18)25(26)27/h5-14,23H,4H2,1-3H3/b22-14+