N-benzo[c]phenanthren-1-ylethanamide; 4-bromanyl-2,5,7-trinitro-fluoren-9-one

Systemtic Name: N-benzo[c]phenanthren-1-ylethanamide; 4-bromanyl-2,5,7-trinitro-fluoren-9-one Openeye Name: N-benzo[c]phenanthren-1-ylacetamide; 4-bromo-2,5,7-trinitro-fluoren-9-one CAS Name: N-(1-benzo[c]phenanthrenyl)acetamide; 4-bromo-2,5,7-trinitro-9-fluorenone IUPAC Name: N-benzo[c]phenanthren-1-ylacetamide; 4-bromo-2,5,7-trinitrofluoren-9-one Traditional Name: N-benzo[c]phenanthren-1-ylacetamide; 4-bromo-2,5,7-trinitro-fluoren-9-one Formula: C33H19BrN4O8 MolecularWeight: 679.42996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C3=C(C=C2)C=CC4=CC=CC=C43.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1C3=C(C=C2)C=CC4=CC=CC=C43.C1=C(C=C2C(=C1[N+](=O)[O-])C3=C(C=C(C=C3C2=O)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO.C13H4BrN3O7/c1-13(22)21-18-8-4-6-15-11-12-16-10-9-14-5-2-3-7-17(14)19(16)20(15)18;14-9-3-5(15(19)20)1-7-11(9)12-8(13(7)18)2-6(16(21)22)4-10(12)17(23)24/h2-12H,1H3,(H,21,22);1-4H