2-[(E,3E)-3-(6-methoxy-2-phenyl-chromen-4-ylidene)prop-1-enyl]-1,3,3-trimethyl-5-nitro-indol-1-ium

Systemtic Name: 2-[(E,3E)-3-(6-methoxy-2-phenyl-chromen-4-ylidene)prop-1-enyl]-1,3,3-trimethyl-5-nitro-indol-1-ium Openeye Name: 2-[(E,3E)-3-(6-methoxy-2-phenyl-chromen-4-ylidene)prop-1-enyl]-1,3,3-trimethyl-5-nitro-indol-1-ium CAS Name: 2-[(E,3E)-3-(6-methoxy-2-phenyl-1-benzopyran-4-ylidene)prop-1-enyl]-1,3,3-trimethyl-5-nitroindol-1-ium IUPAC Name: 2-[(E,3E)-3-(6-methoxy-2-phenylchromen-4-ylidene)prop-1-enyl]-1,3,3-trimethyl-5-nitroindol-1-ium Traditional Name: 2-[(E,3E)-3-(6-methoxy-2-phenyl-chromen-4-ylidene)prop-1-enyl]-1,3,3-trimethyl-5-nitro-indol-1-ium Formula: C30H27N2O4+ MolecularWeight: 479.54638

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=C1C=CC=C3C=C(OC4=C3C=C(C=C4)OC)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=C1/C=C/C=C/3\C=C(OC4=C3C=C(C=C4)OC)C5=CC=CC=C5)C)C

InChI

InChI=1S/C30H27N2O4/c1-30(2)25-18-22(32(33)34)13-15-26(25)31(3)29(30)12-8-11-21-17-28(20-9-6-5-7-10-20)36-27-16-14-23(35-4)19-24(21)27/h5-19H,1-4H3/q+1/b12-8+,21-11+