dimethyl 1,12-dimethyl-2,4,9,11-tetranitro-benzo[c]phenanthrene-5,8-dicarboxylate

Systemtic Name: dimethyl 1,12-dimethyl-2,4,9,11-tetranitro-benzo[c]phenanthrene-5,8-dicarboxylate Openeye Name: dimethyl 1,12-dimethyl-2,4,9,11-tetranitro-benzo[c]phenanthrene-5,8-dicarboxylate CAS Name: 1,12-dimethyl-2,4,9,11-tetranitrobenzo[c]phenanthrene-5,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,12-dimethyl-2,4,9,11-tetranitrobenzo[c]phenanthrene-5,8-dicarboxylate Traditional Name: 1,12-dimethyl-2,4,9,11-tetranitro-benzo[c]phenanthrene-5,8-dicarboxylic acid dimethyl ester Formula: C24H16N4O12 MolecularWeight: 552.40344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C(C=C3C=C(C4=C(C3=C12)C(=C(C=C4[N+](=O)[O-])[N+](=O)[O-])C)C(=O)OC)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C2=C(C=C3C=C(C4=C(C3=C12)C(=C(C=C4[N+](=O)[O-])[N+](=O)[O-])C)C(=O)OC)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H16N4O12/c1-9-14(25(31)32)7-16(27(35)36)21-12(23(29)39-3)5-11-6-13(24(30)40-4)22-17(28(37)38)8-15(26(33)34)10(2)19(22)20(11)18(9)21/h5-8H,1-4H3