N-[(Z)-[1-(1-adamantyl)-2-methoxy-propylidene]amino]-2,4-dinitro-aniline

Systemtic Name: N-[(Z)-[1-(1-adamantyl)-2-methoxy-propylidene]amino]-2,4-dinitro-aniline Openeye Name: N-[(Z)-[1-(1-adamantyl)-2-methoxy-propylidene]amino]-2,4-dinitro-aniline CAS Name: N-[(Z)-[1-(1-adamantyl)-2-methoxypropylidene]amino]-2,4-dinitroaniline IUPAC Name: N-[(Z)-[1-(1-adamantyl)-2-methoxypropylidene]amino]-2,4-dinitroaniline Traditional Name: [(Z)-[1-(1-adamantyl)-2-methoxy-propylidene]amino]-(2,4-dinitrophenyl)amine Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CC(/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C20H26N4O5/c1-12(29-2)19(20-9-13-5-14(10-20)7-15(6-13)11-20)22-21-17-4-3-16(23(25)26)8-18(17)24(27)28/h3-4,8,12-15,21H,5-7,9-11H2,1-2H3/b22-19+