1-butyl-2-[(E,3E)-3-(1-ethyl-5-methoxy-3,3-dimethyl-indol-2-ylidene)prop-1-enyl]-3,3-dimethyl-5-nitro-indol-1-ium

Systemtic Name: 1-butyl-2-[(E,3E)-3-(1-ethyl-5-methoxy-3,3-dimethyl-indol-2-ylidene)prop-1-enyl]-3,3-dimethyl-5-nitro-indol-1-ium Openeye Name: 1-butyl-2-[(E,3E)-3-(1-ethyl-5-methoxy-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-5-nitro-indol-1-ium CAS Name: 1-butyl-2-[(E,3E)-3-(1-ethyl-5-methoxy-3,3-dimethyl-2-indolylidene)prop-1-enyl]-3,3-dimethyl-5-nitroindol-1-ium IUPAC Name: 1-butyl-2-[(E,3E)-3-(1-ethyl-5-methoxy-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethyl-5-nitroindol-1-ium Traditional Name: 1-butyl-2-[(E,3E)-3-(1-ethyl-5-methoxy-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-5-nitro-indol-1-ium Formula: C30H38N3O3+ MolecularWeight: 488.64102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C)C=CC=C3C(C4=C(N3CC)C=CC(=C4)OC)(C)C

Isomeric SMILES

CCCC[N+]1=C(C(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C)/C=C/C=C/3\C(C4=C(N3CC)C=CC(=C4)OC)(C)C

InChI

InChI=1S/C30H38N3O3/c1-8-10-18-32-26-16-14-21(33(34)35)19-23(26)29(3,4)28(32)13-11-12-27-30(5,6)24-20-22(36-7)15-17-25(24)31(27)9-2/h11-17,19-20H,8-10,18H2,1-7H3/q+1